N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

C23H21N3O — CID 100579292

IUPACN-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)N(C)Cc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-16-8-13-20-21(14-16)25-22(24-20)18-9-11-19(12-10-18)23(27)26(2)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyFIKZRQPCBHCKLU-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.81
Rot. Bonds4

About N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (PubChem CID 100579292) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
PubChem CID100579292
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)N(C)Cc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-16-8-13-20-21(14-16)25-22(24-20)18-9-11-19(12-10-18)23(27)26(2)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyFIKZRQPCBHCKLU-UHFFFAOYSA-N
XLogP4.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 110536430
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
CID 141334498
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
bis(carbon dioxide);ethanol;4-methylbenzene-1,2-diamine;6-methyl-2-phenyl-1H-benzimidazole
CID 159310716
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (CID 100579292) is N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is Cc1ccc2nc(-c3ccc(C(=O)N(C)Cc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The InChIKey is FIKZRQPCBHCKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-8-13-20-21(14-16)25-22(24-20)18-9-11-19(12-10-18)23(27)26(2)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 100579292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).